UCSF

ZINC09375318

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 34 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) 4.55 9.61 -60.1 0 7 -1 88 458.49 8
Mid Mid (pH 6-8) 5.00 8.52 -27.1 1 7 0 85 459.498 7
Mid Mid (pH 6-8) 3.97 0.94 -17.89 0 7 0 82 459.498 8

Activity (Go SEA)

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