UCSF

ZINC34974007

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 3.02 7.4 -47.4 2 3 1 34 246.378 5
Mid Mid (pH 6-8) 3.02 7.85 -90.6 3 3 2 36 247.386 5

Activity (Go SEA)

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