UCSF

ZINC05025447

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2006 28 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) 6.36 9.72 -8.4 2 4 0 58 411.288 5
Hi High (pH 8-9.5) 6.36 10.49 -53.45 1 4 -1 61 410.28 5
Hi High (pH 8-9.5) 6.36 10.51 -42.26 1 4 -1 61 410.28 5

Activity (Go SEA)

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