UCSF

ZINC40950116

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 30 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) -0.14 -1.72 -19.48 4 9 0 142 417.414 6
Mid Mid (pH 6-8) 0.04 -4.45 -67.93 3 9 -1 149 416.406 6

Activity (Go SEA)

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