UCSF

ZINC37864287

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 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) 0.68 4.38 -49.02 3 4 1 51 254.398 4
Lo Low (pH 4.5-6) 0.68 6.18 -122.83 4 4 2 52 255.406 4

Activity (Go SEA)

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