UCSF

ZINC34940670

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 3.05 7.07 -56.91 3 3 1 48 332.221 2
Mid Mid (pH 6-8) 3.05 6.75 -8.31 2 3 0 46 331.213 2

Activity (Go SEA)

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