UCSF

ZINC19903799

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 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) 3.19 6.15 -33.15 2 3 1 29 265.421 7
Mid Mid (pH 6-8) 3.19 8.23 -109.55 3 3 2 30 266.429 7

Activity (Go SEA)

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