UCSF

ZINC11914966

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 35 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) 3.35 8.72 -17.96 2 8 0 101 470.529 7
Lo Low (pH 4.5-6) 3.35 -2.12 -47.67 3 8 1 102 471.537 7

Activity (Go SEA)

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