UCSF

ZINC06696691

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 25 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) 2.89 11.2 -31.79 1 5 1 53 338.431 6
Mid Mid (pH 6-8) 2.89 10.81 -8.43 0 5 0 51 337.423 6

Activity (Go SEA)

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