UCSF

ZINC35680421

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 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) -1.64 -0.53 -51.37 1 8 -1 114 320.372 4
Mid Mid (pH 6-8) -1.18 -2.69 -93.79 0 8 -2 117 319.364 4
Mid Mid (pH 6-8) -1.64 1.6 -44.16 2 8 0 115 321.38 4
Mid Mid (pH 6-8) -1.18 -0.55 -65.95 1 8 -1 118 320.372 4

Activity (Go SEA)

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