UCSF

ZINC06625212

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 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) 1.27 3.64 -41.34 3 4 1 59 245.302 5
Lo Low (pH 4.5-6) 1.27 3.9 -108.4 4 4 2 60 246.31 5

Activity (Go SEA)

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