UCSF

ZINC71562982

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 18 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) 1.40 9.27 -48.22 0 3 -1 49 247.314 6
Lo Low (pH 4.5-6) 1.40 7.28 -6.49 1 3 0 47 248.322 6

Activity (Go SEA)

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