UCSF

ZINC00218125

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 25 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) 1.47 6.22 -16.11 1 6 0 72 339.395 6
Lo Low (pH 4.5-6) 1.47 6.69 -48.44 2 6 1 73 340.403 6
Lo Low (pH 4.5-6) 1.65 4.27 -37.91 2 6 1 76 340.403 6

Activity (Go SEA)

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