UCSF

ZINC36272292

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.77 10.6 -37.85 3 4 1 48 321.448 4
Hi High (pH 8-9.5) 3.77 8.28 -10.13 2 4 0 47 320.44 4
Mid Mid (pH 6-8) 3.77 11.15 -85.83 4 4 2 49 322.456 4
Mid Mid (pH 6-8) 3.77 8.79 -24.18 3 4 1 48 321.448 4

Activity (Go SEA)

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