UCSF

ZINC34682373

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 31 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) 2.95 9.39 -9.26 0 5 0 30 422.548 6
Mid Mid (pH 6-8) 2.95 11.6 -45.55 1 5 1 31 423.556 6
Lo Low (pH 4.5-6) 2.95 13.83 -91.63 2 5 2 32 424.564 6

Activity (Go SEA)

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