UCSF

ZINC09244308

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 25 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) 2.60 9.84 -46.55 1 9 -1 118 354.375 4
Mid Mid (pH 6-8) 1.87 9.99 -20.45 2 9 0 120 355.383 4

Activity (Go SEA)

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