UCSF

ZINC34679103

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 35 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) 4.65 17.5 -15.98 0 6 0 53 473.596 5
Lo Low (pH 4.5-6) 4.65 17.84 -36.23 1 6 1 54 474.604 5
Lo Low (pH 4.5-6) 4.65 17.82 -36.52 1 6 1 54 474.604 5

Activity (Go SEA)

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