UCSF

ZINC06420241

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 29 No

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) 1.28 7.2 -38.1 0 9 -1 128 396.379 8
Mid Mid (pH 6-8) 1.28 6.76 -16.69 1 9 0 126 397.387 8
Mid Mid (pH 6-8) 0.70 7.12 -16.58 0 9 0 122 397.387 8
Lo Low (pH 4.5-6) 0.70 7.39 -50.07 1 9 1 124 398.395 8
Lo Low (pH 4.5-6) 1.28 7.04 -57.63 2 9 1 127 398.395 8

Activity (Go SEA)

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