UCSF

ZINC44683760

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 0.98 2.64 -47.95 4 4 1 66 237.323 6
Hi High (pH 8-9.5) 0.98 2.24 -8.73 3 4 0 64 236.315 6

Activity (Go SEA)

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