UCSF

ZINC71535510

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 17 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) 3.21 7.47 -37.48 2 2 1 34 232.347 2
Mid Mid (pH 6-8) 3.21 6.13 -5.36 1 2 0 29 231.339 2

Activity (Go SEA)

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