UCSF

ZINC00210864

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

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) 1.09 5.37 -8.37 2 7 0 96 232.247 3
Hi High (pH 8-9.5) 1.10 5.1 -44.06 1 7 -1 95 231.239 3
Mid Mid (pH 6-8) 1.09 5.17 -14.22 2 7 0 96 232.247 3
Lo Low (pH 4.5-6) 1.10 5.54 -29.63 3 7 1 98 233.255 3

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

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