UCSF

ZINC44514072

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 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) 1.22 7.14 -115.53 4 4 2 52 307.463 3
Hi High (pH 8-9.5) 1.22 4.98 -52.44 3 4 1 51 306.455 3

Activity (Go SEA)

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