UCSF

ZINC42451421

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 1.67 2.09 -2.98 1 3 0 33 213.321 2
Mid Mid (pH 6-8) 1.67 3.7 -26.92 2 3 1 34 214.329 2

Activity (Go SEA)

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