UCSF

ZINC34960411

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 0.17 2.04 -50.37 3 4 1 51 242.387 6
Mid Mid (pH 6-8) 0.17 3.91 -30.96 3 4 1 51 242.387 6

Activity (Go SEA)

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