UCSF

ZINC31392890

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2009 23 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) -1.36 -0.22 -101.87 11 8 2 166 322.413 9
Mid Mid (pH 6-8) -1.36 -0.55 -43.35 10 8 1 164 321.405 9

Activity (Go SEA)

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