UCSF

ZINC44679379

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) -0.06 2.62 -77.91 4 4 2 36 240.395 5
Hi High (pH 8-9.5) -0.06 2.41 -109.2 4 4 2 36 240.395 5
Hi High (pH 8-9.5) -0.06 0.14 -38.04 3 4 1 35 239.387 5
Lo Low (pH 4.5-6) -0.06 3.54 -80.95 4 4 2 33 240.395 5
Lo Low (pH 4.5-6) -0.06 4.88 -172.56 5 4 3 38 241.403 5

Activity (Go SEA)

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