UCSF

ZINC45684949

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 2.52 5.19 -37.5 2 3 1 29 243.415 6
Mid Mid (pH 6-8) 2.52 7.14 -92.55 3 3 2 30 244.423 6

Activity (Go SEA)

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