UCSF

ZINC41195282

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 20 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) 4.92 9.32 -37.12 2 2 1 29 293.5 5
Hi High (pH 8-9.5) 4.92 8.2 -5.45 1 2 0 25 292.492 5
Lo Low (pH 4.5-6) 4.92 9.51 -94.36 3 2 2 31 294.508 5

Activity (Go SEA)

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