UCSF

ZINC04017176

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 24 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) 3.82 7.25 -8.19 2 6 0 77 332.4 8
Lo Low (pH 4.5-6) 3.45 5.68 -37.64 3 6 1 82 333.408 8

Activity (Go SEA)

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