UCSF

ZINC04791162

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 34 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) 5.15 14.26 -14.3 1 7 0 74 459.546 9
Mid Mid (pH 6-8) 5.15 14.7 -32.11 2 7 1 75 460.554 9

Activity (Go SEA)

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