UCSF

ZINC45694225

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) 0.55 4.48 -35.06 4 5 1 77 263.365 2
Mid Mid (pH 6-8) 0.55 5.5 -7.12 3 5 0 75 262.357 2
Lo Low (pH 4.5-6) 0.55 4.95 -92.91 5 5 2 78 264.373 2

Activity (Go SEA)

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