UCSF

ZINC43447467

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 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) 1.99 5.52 -29.63 3 6 1 73 293.391 7
Mid Mid (pH 6-8) 1.99 5.22 -7.69 2 6 0 72 292.383 7
Lo Low (pH 4.5-6) 1.99 7.69 -91.87 4 6 2 74 294.399 7
Lo Low (pH 4.5-6) 1.99 7.37 -39.22 3 6 1 73 293.391 7

Activity (Go SEA)

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