UCSF

ZINC38582470

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 21 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) 2.10 -1.79 -15.77 2 7 0 92 285.307 4
Lo Low (pH 4.5-6) 2.10 -1.64 -26.96 3 7 1 93 286.315 4

Activity (Go SEA)

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