UCSF

ZINC35038324

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) 1.61 8.18 -50.02 2 4 1 38 273.404 8
Mid Mid (pH 6-8) 1.61 8.94 -39.1 2 4 1 34 273.404 8
Mid Mid (pH 6-8) 1.61 9.45 -73.18 3 4 2 36 274.412 8
Lo Low (pH 4.5-6) 1.61 10.81 -173.78 4 4 3 40 275.42 8

Activity (Go SEA)

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