UCSF

ZINC43232214

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) -0.64 0.27 -45.05 5 6 1 92 268.385 7
Hi High (pH 8-9.5) -0.64 1.73 -31.82 5 6 1 91 268.385 7
Lo Low (pH 4.5-6) -0.64 0.83 -114.57 6 6 2 93 269.393 7

Activity (Go SEA)

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