UCSF

ZINC34627720

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 14 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) 1.10 8.37 -35.93 1 4 1 45 197.258 7
Mid Mid (pH 6-8) 1.10 7.87 -11.91 0 4 0 44 196.25 7

Activity (Go SEA)

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