UCSF

ZINC40192304

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 30 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) 3.77 10.8 -15.45 1 6 0 65 401.466 8
Lo Low (pH 4.5-6) 3.77 12 -34.85 2 6 1 67 402.474 8

Activity (Go SEA)

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