UCSF

ZINC19868144

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 14 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 0.98 -6.77 2 4 0 51 193.25 1
Mid Mid (pH 6-8) 1.00 1.43 -33.34 3 4 1 53 194.258 1

Activity (Go SEA)

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