UCSF

ZINC34581546

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 15 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) 3.06 5.02 -6.81 3 2 0 42 214.293 0
Lo Low (pH 4.5-6) 3.06 4.87 -47.53 4 2 1 43 215.301 0

Activity (Go SEA)

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