UCSF

ZINC19816729

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 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) -0.89 1.11 -43.72 2 5 1 49 228.316 2
Hi High (pH 8-9.5) -0.89 -0.48 -8.98 1 5 0 45 227.308 2
Mid Mid (pH 6-8) -0.89 1.65 -40.62 2 5 1 46 228.316 2
Lo Low (pH 4.5-6) -0.89 3.05 -114.43 3 5 2 51 229.324 2

Activity (Go SEA)

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