UCSF

ZINC44472327

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 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) 1.59 6.38 -87.12 3 3 2 24 227.396 6
Hi High (pH 8-9.5) 1.59 4.15 -33.31 2 3 1 23 226.388 6

Activity (Go SEA)

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