UCSF

ZINC34590225

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 24 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) 2.85 3.92 -50.1 4 5 1 76 332.42 10
Mid Mid (pH 6-8) 2.85 2.47 -9.9 3 5 0 71 331.412 10

Activity (Go SEA)

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