UCSF

ZINC38551162

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 22 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) 2.73 3.48 -16.3 2 6 0 80 294.314 4
Hi High (pH 8-9.5) 2.36 1.18 -50.69 1 6 -1 86 293.306 5

Activity (Go SEA)

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