UCSF

ZINC37015781

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 0.31 2.5 -40.69 4 6 1 99 234.235 2
Mid Mid (pH 6-8) 0.31 1.06 -12.49 3 6 0 94 233.227 2

Activity (Go SEA)

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