UCSF

ZINC53505764

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 2.79 5.23 -10.5 1 5 0 45 291.395 5
Lo Low (pH 4.5-6) 2.79 7.46 -45.92 2 5 1 46 292.403 5

Activity (Go SEA)

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