UCSF

ZINC37815716

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 16 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) 1.37 2.73 -44.75 3 4 1 57 229.344 4
Mid Mid (pH 6-8) 1.37 2.45 -5.07 2 4 0 56 228.336 4

Activity (Go SEA)

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