UCSF

ZINC37856273

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.80 -0.65 -90.39 0 6 -2 108 293.329 3
Mid Mid (pH 6-8) 1.80 -1.43 -36.42 1 6 -1 105 294.337 3
Mid Mid (pH 6-8) 1.80 -0.68 -41.52 1 6 -1 106 294.337 3
Mid Mid (pH 6-8) 1.35 1.34 -13.73 2 6 0 103 295.345 3

Activity (Go SEA)

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