UCSF

ZINC37976183

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 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) -0.13 4.44 -11.68 0 5 0 44 293.342 3
Mid Mid (pH 6-8) -0.13 6.63 -46.57 1 5 1 45 294.35 3

Activity (Go SEA)

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