UCSF

ZINC40312996

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 25 Yes

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) 2.32 8.47 -44.93 3 7 1 89 343.407 6
Ref Reference (pH 7) 2.32 8.01 -15.32 2 7 0 87 342.399 6
Mid Mid (pH 6-8) 2.32 8 -14.77 2 7 0 87 342.399 6
Mid Mid (pH 6-8) 2.32 8.47 -45.05 3 7 1 89 343.407 6

Activity (Go SEA)

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