UCSF

ZINC40449306

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 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) 0.18 0.09 -53.26 2 5 1 65 290.368 3
Mid Mid (pH 6-8) 0.18 -0.35 -16.25 1 5 0 63 289.36 3

Activity (Go SEA)

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