UCSF

ZINC40405609

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 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) 5.50 12.85 -49.65 1 3 1 22 342.894 6
Hi High (pH 8-9.5) 5.50 10.78 -7.06 0 3 0 21 341.886 6
Lo Low (pH 4.5-6) 5.50 13.52 -91.84 2 3 2 24 343.902 6

Activity (Go SEA)

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