UCSF

ZINC37819682

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 0.69 1.51 -62.52 3 6 1 85 304.436 4
Mid Mid (pH 6-8) 0.69 1.36 -14.66 2 6 0 84 303.428 4

Activity (Go SEA)

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