UCSF

ZINC20129134

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 16 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) 3.03 6.85 -35.82 2 2 1 16 304.277 6
Mid Mid (pH 6-8) 3.03 8.27 -111.18 3 2 2 21 305.285 6

Activity (Go SEA)

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