UCSF

ZINC40406558

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 37 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) 7.19 15.18 -9.97 2 3 0 41 500.564 7
Mid Mid (pH 6-8) 7.19 16.39 -53.25 3 3 1 46 501.572 7

Activity (Go SEA)

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