UCSF

ZINC34992927

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.67 10.05 -125.45 3 4 2 39 274.412 6
Mid Mid (pH 6-8) 1.67 7.92 -47.21 2 4 1 38 273.404 6
Mid Mid (pH 6-8) 1.67 8.88 -38.8 2 4 1 34 273.404 6
Mid Mid (pH 6-8) 1.67 9.39 -74.11 3 4 2 36 274.412 6
Lo Low (pH 4.5-6) 1.67 10.56 -173.77 4 4 3 40 275.42 6

Activity (Go SEA)

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