UCSF

ZINC42866005

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 14 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) 0.20 1.38 -39.45 4 5 1 76 215.302 5
Mid Mid (pH 6-8) 0.20 -0.97 -7.86 3 5 0 75 214.294 5

Activity (Go SEA)

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