UCSF

ZINC34156899

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 13 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) 0.05 -1.04 -10.67 1 5 0 79 206.267 5
Mid Mid (pH 6-8) 0.05 -0.84 -31.75 0 5 -1 81 205.259 5

Activity (Go SEA)

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