UCSF

ZINC42172085

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 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) 1.02 4.02 -37.2 2 3 1 33 220.34 5
Hi High (pH 8-9.5) 1.02 4.98 -34.66 2 3 1 29 220.34 5
Mid Mid (pH 6-8) 1.02 4.75 -81.3 3 3 2 34 221.348 5

Activity (Go SEA)

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