UCSF

ZINC43979908

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 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) 2.87 5.12 -37.48 2 3 1 29 289.321 5
Hi High (pH 8-9.5) 2.87 4.21 -3.89 1 3 0 24 288.313 5

Activity (Go SEA)

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