UCSF

ZINC34667020

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 23 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) 0.67 2.61 -10.06 0 6 0 51 320.389 4
Mid Mid (pH 6-8) 0.67 4.93 -44.81 1 6 1 52 321.397 4

Activity (Go SEA)

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