UCSF

ZINC45229511

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 24 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) 5.24 11.07 -38.24 2 2 1 16 343.457 9
Mid Mid (pH 6-8) 5.24 10.03 -44.5 2 2 1 20 343.457 9

Activity (Go SEA)

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