UCSF

ZINC24778202

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2009 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) 1.79 6.49 -14.56 1 6 0 59 326.4 5
Lo Low (pH 4.5-6) 1.79 8.76 -50.68 2 6 1 61 327.408 5

Activity (Go SEA)

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