UCSF

ZINC04347989

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 4.26 7.65 -7.9 1 3 0 38 287.775 3
Lo Low (pH 4.5-6) 4.26 8.1 -38.89 2 3 1 39 288.783 3

Activity (Go SEA)

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