UCSF

ZINC53435757

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 2.55 7.03 -86.49 3 3 2 24 271.493 8
Hi High (pH 8-9.5) 2.55 5.68 -31.98 2 3 1 20 270.485 8
Lo Low (pH 4.5-6) 2.55 9.5 -197.07 4 3 3 25 272.501 8

Activity (Go SEA)

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