UCSF

ZINC67587572

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 21 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) 1.00 6.87 -101.68 4 4 2 50 289.423 3
Hi High (pH 8-9.5) 1.00 4.36 -46.33 3 4 1 49 288.415 3

Activity (Go SEA)

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