UCSF

ZINC40475904

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 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) 1.38 5.36 -34.09 2 5 1 60 243.327 5
Mid Mid (pH 6-8) 1.38 3.38 -11.04 1 5 0 59 242.319 5

Activity (Go SEA)

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