UCSF

ZINC38538852

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 14 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) 0.23 1.73 -35.58 4 3 1 51 193.27 2
Mid Mid (pH 6-8) 0.23 -0.48 -46.95 4 3 1 51 193.27 2
Lo Low (pH 4.5-6) 0.23 2.02 -119.38 5 3 2 52 194.278 2

Activity (Go SEA)

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