UCSF

ZINC41678377

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 2.45 9.29 -44.27 3 4 1 48 247.366 5
Hi High (pH 8-9.5) 2.45 7.54 -7.28 2 4 0 47 246.358 5
Mid Mid (pH 6-8) 2.45 9.8 -87.98 4 4 2 50 248.374 5

Activity (Go SEA)

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