UCSF

ZINC67771796

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 22 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) 1.72 6.88 -98.65 4 3 2 41 320.502 2
Mid Mid (pH 6-8) 1.72 4.87 -44.58 3 3 1 40 319.494 2

Activity (Go SEA)

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