UCSF

ZINC20198519

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 1.01 2.35 -50.27 3 3 1 46 232.25 7
Hi High (pH 8-9.5) 1.01 0.85 -9.1 2 3 0 41 231.242 7

Activity (Go SEA)

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