UCSF

ZINC07812302

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2006 22 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) 3.20 8.87 -52.64 2 5 1 60 325.816 6
Hi High (pH 8-9.5) 3.20 6.68 -13.48 1 5 0 59 324.808 6

Activity (Go SEA)

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