UCSF

ZINC04003372

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 19 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) 4.12 -0.66 -10.11 1 2 0 33 247.297 2
Lo Low (pH 4.5-6) 4.12 -0.45 -29.18 2 2 1 34 248.305 2
Lo Low (pH 4.5-6) 4.12 -0.42 -27.1 2 2 1 34 248.305 2

Activity (Go SEA)

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