UCSF

ZINC23358966

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 28 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) 3.90 10.61 -37.54 1 4 1 26 383.556 9
Lo Low (pH 4.5-6) 3.90 12.9 -118.11 2 4 2 27 384.564 9
Lo Low (pH 4.5-6) 3.90 10.67 -41.47 1 4 1 26 383.556 9

Activity (Go SEA)

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