UCSF

ZINC35017251

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 No

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) 2.65 5.62 -10.61 3 4 0 61 322.455 6
Mid Mid (pH 6-8) 1.90 4.44 -39.39 2 4 -1 68 321.447 5

Activity (Go SEA)

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