UCSF

ZINC34550645

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 20 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) 1.78 7.86 -51.01 1 4 1 47 273.356 4
Mid Mid (pH 6-8) 1.78 5.51 -10.42 0 4 0 45 272.348 4

Activity (Go SEA)

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