UCSF

ZINC37794453

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 0.74 2.22 -48.4 2 7 -1 115 319.746 6
Mid Mid (pH 6-8) 0.74 2.28 -93.4 1 7 -2 117 318.738 6
Lo Low (pH 4.5-6) 0.74 0.3 -45.1 2 7 -1 115 319.746 6
Lo Low (pH 4.5-6) 0.74 0.24 -13.92 3 7 0 113 320.754 6

Activity (Go SEA)

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