UCSF

ZINC52542375

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 16 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) 1.71 5.12 -35.73 2 3 1 29 227.372 9
Hi High (pH 8-9.5) 1.71 4.4 -1.88 1 3 0 24 226.364 9
Mid Mid (pH 6-8) 1.71 6.54 -108.61 3 3 2 30 228.38 9

Activity (Go SEA)

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