UCSF

ZINC38002600

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 19 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) 5.59 10.26 -37.43 2 1 1 17 339.322 5
Hi High (pH 8-9.5) 5.59 9.55 -2.1 1 1 0 12 338.314 5

Activity (Go SEA)

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