UCSF

ZINC43253919

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) 1.74 1.26 -50.35 4 3 1 51 277.841 7
Hi High (pH 8-9.5) 1.74 0.99 -4.15 3 3 0 49 276.833 7
Mid Mid (pH 6-8) 1.74 3.05 -31.18 4 3 1 51 277.841 7

Activity (Go SEA)

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