UCSF

ZINC36995213

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 2.89 9.06 -99.59 3 3 2 30 292.467 5
Hi High (pH 8-9.5) 2.89 8.11 -33.71 2 3 1 26 291.459 5
Hi High (pH 8-9.5) 2.89 6.78 -33.1 2 3 1 29 291.459 5

Activity (Go SEA)

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