UCSF

ZINC57218342

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2011 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) 0.43 7.3 -16.58 1 6 0 73 279.303 3
Hi High (pH 8-9.5) 0.50 6.25 -41.69 0 6 -1 79 278.295 3
Lo Low (pH 4.5-6) 0.43 7.77 -34.5 2 6 1 74 280.311 3

Activity (Go SEA)

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