UCSF

ZINC08704744

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 24 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) 2.72 0.27 -21.24 1 7 0 100 340.364 4
Lo Low (pH 4.5-6) 2.72 0.42 -47.63 2 7 1 101 341.372 4

Activity (Go SEA)

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