UCSF

ZINC43248786

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) 0.41 -0.29 -45.27 5 4 1 74 256.395 6
Hi High (pH 8-9.5) 0.41 -0.63 -6.2 4 4 0 72 255.387 6
Hi High (pH 8-9.5) 0.41 2.03 -29.01 5 4 1 74 256.395 6
Lo Low (pH 4.5-6) 0.41 1.26 -117.63 6 4 2 75 257.403 6

Activity (Go SEA)

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