UCSF

ZINC39336787

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -1.76 -10.2 -50.44 5 13 -1 176 424.438 7
Mid Mid (pH 6-8) -1.76 -7.94 -74.57 6 13 0 178 425.446 7
Lo Low (pH 4.5-6) -1.76 -7.95 -55.32 7 13 1 180 426.454 7

Activity (Go SEA)

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