UCSF

ZINC41685196

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) -0.98 4.39 -47.46 2 6 1 80 243.283 8
Mid Mid (pH 6-8) -0.98 3.05 -12.87 1 6 0 76 242.275 8

Activity (Go SEA)

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