UCSF

ZINC20070257

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 11 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) 0.40 2.56 -9.69 1 2 0 36 166.146 5
Mid Mid (pH 6-8) 0.40 3.95 -56.11 2 2 1 40 167.154 5

Activity (Go SEA)

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