UCSF

ZINC09880395

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2007 14 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) 3.86 1.57 -6.63 0 1 0 12 185.27 0
Lo Low (pH 4.5-6) 3.86 1.66 -24.37 1 1 1 14 186.278 0

Activity (Go SEA)

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