UCSF

ZINC57620356

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2011 19 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) 1.86 6.24 -10.25 0 4 0 30 259.353 7
Mid Mid (pH 6-8) 1.86 6.89 -31.03 1 4 1 32 260.361 7
Lo Low (pH 4.5-6) 1.86 8.57 -43.94 1 4 1 31 260.361 7

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

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