UCSF

ZINC34865544

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 25 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) 1.11 5.08 -50.88 5 5 1 91 340.447 7
Mid Mid (pH 6-8) 1.11 4.8 -14.59 4 5 0 89 339.439 7

Activity (Go SEA)

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