UCSF

ZINC37860166

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 2.27 2.64 -5.06 2 2 0 32 298.102 5
Mid Mid (pH 6-8) 2.27 3.98 -48.38 3 2 1 37 299.11 5

Activity (Go SEA)

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