UCSF

ZINC05360849

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 20 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) 3.41 4.96 -10.34 2 5 0 71 267.288 3
Ref Reference (pH 7) 3.41 5.05 -10.28 2 5 0 71 267.288 3
Hi High (pH 8-9.5) 3.41 5.73 -52.77 1 5 -1 74 266.28 3
Hi High (pH 8-9.5) 3.41 5.83 -50.3 1 5 -1 74 266.28 3

Activity (Go SEA)

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