UCSF

ZINC43426244

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 1.74 2.57 -8.83 1 4 0 50 261.321 3
Hi High (pH 8-9.5) 1.74 3.34 -42.49 0 4 -1 53 260.313 3
Lo Low (pH 4.5-6) 1.74 4.75 -40.29 2 4 1 51 262.329 3

Activity (Go SEA)

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