UCSF

ZINC34579802

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) 3.39 8.23 -46.07 1 3 -1 60 289.738 5
Lo Low (pH 4.5-6) 3.39 6.26 -8.93 2 3 0 58 290.746 5

Activity (Go SEA)

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