UCSF

ZINC40773327

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 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) 2.40 5.32 -101.04 4 3 2 41 244.423 7
Mid Mid (pH 6-8) 2.40 3.1 -33.25 3 3 1 40 243.415 7

Activity (Go SEA)

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