UCSF

ZINC34557851

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 16 No

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) -0.46 5.2 -47.69 1 5 -1 78 222.22 7
Mid Mid (pH 6-8) -0.46 6.53 -40.28 2 5 0 83 223.228 7

Activity (Go SEA)

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