UCSF

ZINC34574863

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 20 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) 1.07 3.51 -7.15 1 6 0 75 293.348 3
Mid Mid (pH 6-8) 1.53 1.62 -45.51 0 6 -1 78 292.34 3
Lo Low (pH 4.5-6) 1.07 5.93 -44.99 2 6 1 76 294.356 3

Activity (Go SEA)

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