UCSF

ZINC44721427

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 14 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) -0.38 0.91 -35.72 4 4 1 60 198.29 5
Hi High (pH 8-9.5) -0.38 -0.46 -45.56 4 4 1 63 198.29 5
Hi High (pH 8-9.5) -0.38 -1.57 -7.63 3 4 0 58 197.282 5
Lo Low (pH 4.5-6) -0.38 2.04 -112.42 5 4 2 64 199.298 5

Activity (Go SEA)

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