UCSF

ZINC22172136

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 20 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) 0.71 3.18 -55.84 4 4 1 74 295.359 4
Hi High (pH 8-9.5) 0.71 2.94 -43.74 2 4 -1 74 293.343 4
Mid Mid (pH 6-8) 0.71 3.25 -69.59 3 4 0 76 294.351 4

Activity (Go SEA)

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