UCSF

ZINC28570884

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 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) 0.11 3.59 -78.22 1 6 -1 92 276.268 5
Mid Mid (pH 6-8) 0.11 2.7 -37.12 2 6 0 95 277.276 5

Activity (Go SEA)

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