UCSF

ZINC34617988

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 15 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) 2.85 6.01 -31.31 2 2 1 26 217.679 2
Mid Mid (pH 6-8) 2.85 5.59 -6.77 1 2 0 25 216.671 2

Activity (Go SEA)

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