UCSF

ZINC44723435

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 20 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) 1.53 3.7 -47.22 3 5 1 79 279.36 9
Hi High (pH 8-9.5) 1.53 2.42 -12.71 2 5 0 75 278.352 9

Activity (Go SEA)

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