UCSF

ZINC43982984

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 3.36 7.99 -36.84 2 2 1 20 299.36 6
Mid Mid (pH 6-8) 3.36 5.98 -3.37 1 2 0 15 298.352 6

Activity (Go SEA)

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