UCSF

ZINC19868543

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 0.30 0.94 -35.52 5 5 1 86 221.284 2
Mid Mid (pH 6-8) 0.30 0.48 -11.67 4 5 0 85 220.276 2

Activity (Go SEA)

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