UCSF

ZINC44513944

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 16 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) 1.22 5.97 -102.51 4 4 2 58 230.352 7
Hi High (pH 8-9.5) 1.22 3.8 -47.33 3 4 1 57 229.344 7

Activity (Go SEA)

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