UCSF

ZINC01358499

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 26 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) 3.62 7.77 -15.95 2 6 0 80 353.422 5
Lo Low (pH 4.5-6) 3.62 7.55 -33.27 3 6 1 82 354.43 5

Activity (Go SEA)

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