UCSF

ZINC34677637

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 27 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) 2.39 5.73 -45.87 2 7 1 74 381.541 11
Mid Mid (pH 6-8) 2.39 3.46 -8.1 1 7 0 73 380.533 11
Lo Low (pH 4.5-6) 2.39 5.71 -44.3 2 7 1 74 381.541 11

Activity (Go SEA)

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