UCSF

ZINC34940539

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) 2.66 5.59 -52.58 3 3 1 46 278.278 2
Mid Mid (pH 6-8) 2.66 5.27 -6.97 2 3 0 44 277.27 2

Activity (Go SEA)

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