UCSF

ZINC12384468

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 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) 2.80 8.53 -36.61 1 2 1 17 245.39 2
Lo Low (pH 4.5-6) 2.80 8.92 -99.79 2 2 2 19 246.398 2

Activity (Go SEA)

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