UCSF

ZINC13131677

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 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) 2.77 11.54 -10.48 2 7 0 85 337.383 4
Mid Mid (pH 6-8) 2.95 12.04 -54.15 3 7 1 89 338.391 4
Mid Mid (pH 6-8) 2.95 11.87 -18.18 2 7 0 88 337.383 4
Mid Mid (pH 6-8) 2.95 11.36 -40.62 1 7 -1 86 336.375 4

Activity (Go SEA)

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