UCSF

ZINC42471134

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 1.07 4.89 -10.41 1 5 0 63 250.298 4
Hi High (pH 8-9.5) 1.07 3.45 -29.66 1 5 0 67 250.298 4
Mid Mid (pH 6-8) 1.07 5.9 -54.29 0 5 -1 65 249.29 4
Lo Low (pH 4.5-6) 1.07 2.76 -41.22 2 5 1 64 251.306 4

Activity (Go SEA)

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