UCSF

ZINC09409098

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 30 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) 4.52 8.38 -11.64 2 6 0 78 470.367 7
Mid Mid (pH 6-8) 4.52 9.15 -50.86 1 6 -1 81 469.359 7

Activity (Go SEA)

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