UCSF

ZINC36617935

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 24 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) -0.48 3.83 -44.16 1 8 1 66 335.432 2
Mid Mid (pH 6-8) -0.48 6.18 -89.99 2 8 2 67 336.44 2
Mid Mid (pH 6-8) -0.48 3.83 -45.74 1 8 1 66 335.432 2
Mid Mid (pH 6-8) -0.48 1.47 -8.68 0 8 0 65 334.424 2

Activity (Go SEA)

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