UCSF

ZINC42580132

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 2.67 6.99 -115.53 4 2 2 32 240.435 5
Mid Mid (pH 6-8) 2.67 5.51 -41.08 3 2 1 31 239.427 5

Activity (Go SEA)

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