UCSF

ZINC05267178

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 26 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) 5.30 12.43 -51.54 1 4 -1 69 339.374 4
Mid Mid (pH 6-8) 5.30 12.93 -55.38 2 4 0 70 340.382 4

Activity (Go SEA)

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