UCSF

ZINC05265022

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 20 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) 3.42 10.81 -41.52 1 3 1 22 266.368 3
Mid Mid (pH 6-8) 3.42 11.25 -87.72 2 3 2 23 267.376 3

Activity (Go SEA)

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