UCSF

ZINC14247685

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 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) 2.80 6.57 -9.77 1 6 0 61 347.85 5
Lo Low (pH 4.5-6) 2.80 7.02 -35.02 2 6 1 63 348.858 5
Lo Low (pH 4.5-6) 2.80 7.04 -34.75 2 6 1 63 348.858 5

Activity (Go SEA)

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