UCSF

ZINC36272294

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 25 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) 4.37 11.08 -37.95 3 4 1 48 335.475 4
Hi High (pH 8-9.5) 4.37 8.76 -9.91 2 4 0 47 334.467 4
Mid Mid (pH 6-8) 4.37 11.63 -86.17 4 4 2 49 336.483 4
Mid Mid (pH 6-8) 4.37 9.28 -24.14 3 4 1 48 335.475 4

Activity (Go SEA)

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