UCSF

ZINC03043696

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 17 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) -1.68 -6.48 -9.15 3 6 0 91 237.259 6
Lo Low (pH 4.5-6) -1.68 -6.37 -39.56 4 6 1 92 238.267 6

Activity (Go SEA)

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