UCSF

ZINC19977689

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 17 No

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) -1.56 -0.14 -47.2 3 6 1 75 242.299 3
Mid Mid (pH 6-8) -1.56 -1.52 -7.04 2 6 0 71 241.291 3

Activity (Go SEA)

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