UCSF

ZINC58202114

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 24 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) -0.54 2.18 -19.08 1 8 0 94 336.344 6
Mid Mid (pH 6-8) -0.36 -0.38 -54.44 0 8 -1 101 335.336 6
Mid Mid (pH 6-8) -0.36 -0.38 -56.3 0 8 -1 101 335.336 6

Activity (Go SEA)

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