UCSF

ZINC27746179

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 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) 2.17 3.86 -41.88 4 5 1 75 272.413 10
Hi High (pH 8-9.5) 2.17 2.52 -16.66 3 5 0 70 271.405 10

Activity (Go SEA)

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