UCSF

ZINC40417867

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.50 12.39 -9.89 0 3 0 27 348.833 5
Lo Low (pH 4.5-6) 5.50 13.11 -32.39 1 3 1 28 349.841 5

Activity (Go SEA)

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