UCSF

ZINC08643163

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2007 32 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) 7.14 15.54 -12.5 1 5 0 75 417.468 5
Mid Mid (pH 6-8) 7.14 1.25 -45.62 2 5 1 75 418.476 5

Activity (Go SEA)

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