UCSF

ZINC53127104

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 21 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) 0.95 -0.34 -8.36 5 5 0 96 292.379 5
Mid Mid (pH 6-8) 0.95 -0.02 -44.11 6 5 1 97 293.387 5

Activity (Go SEA)

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