UCSF

ZINC04331384

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 28 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) 4.00 8.61 -12.31 3 6 0 90 396.516 3
Lo Low (pH 4.5-6) 4.00 8.91 -34.38 4 6 1 91 397.524 3
Lo Low (pH 4.5-6) 4.00 4.87 -30.22 4 6 1 91 397.524 3

Activity (Go SEA)

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