UCSF

ZINC23068149

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 18 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) 1.80 8.04 -117.29 4 3 2 47 247.386 3
Mid Mid (pH 6-8) 1.80 7.56 -54.91 3 3 1 45 246.378 3

Activity (Go SEA)

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