UCSF

ZINC69430254

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2011 18 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) 1.70 3.1 -26.85 3 3 1 34 254.442 4
Hi High (pH 8-9.5) 1.70 3.28 -30.41 3 3 1 34 254.442 4
Mid Mid (pH 6-8) 1.70 3.52 -97.37 4 3 2 35 255.45 4
Lo Low (pH 4.5-6) 1.70 5.49 -200.96 5 3 3 37 256.458 4

Activity (Go SEA)

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