UCSF

ZINC37777515

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 3.71 4.29 -8.17 2 4 0 51 307.777 7
Hi High (pH 8-9.5) 3.71 5.05 -41.48 1 4 -1 54 306.769 7

Activity (Go SEA)

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