UCSF

ZINC42766807

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 0.56 6.06 -91.32 5 6 2 80 281.404 7
Mid Mid (pH 6-8) 0.56 5.25 -39.62 4 6 1 79 280.396 7

Activity (Go SEA)

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