UCSF

ZINC04927771

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 28 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) 4.42 9.25 -12.6 2 5 0 67 395.528 8
Mid Mid (pH 6-8) 4.42 9.67 -35.42 3 5 1 68 396.536 8

Activity (Go SEA)

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