UCSF

ZINC19837973

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 2.89 4.52 -44.12 3 4 1 54 299.822 6
Hi High (pH 8-9.5) 2.89 3.13 -42.47 1 4 -1 55 297.806 6
Mid Mid (pH 6-8) 2.89 5.19 -63.8 2 4 0 57 298.814 6

Activity (Go SEA)

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