UCSF

ZINC36245389

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 19 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.78 4.53 -44.53 0 4 -1 52 272.353 3
Hi High (pH 8-9.5) 1.96 5.28 -15.81 1 4 0 45 273.361 3
Mid Mid (pH 6-8) 1.78 6.86 -37.63 1 4 0 53 273.361 3
Mid Mid (pH 6-8) 1.96 7.48 -49.15 2 4 1 46 274.369 3
Mid Mid (pH 6-8) 2.52 6.75 -34.28 2 4 1 50 274.369 2

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.