UCSF

ZINC13637645

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 13 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) 0.81 1.92 -7.47 4 5 0 81 179.227 1
Lo Low (pH 4.5-6) 0.81 2.28 -25.49 5 5 1 82 180.235 1
Lo Low (pH 4.5-6) 0.81 2.39 -90.69 6 5 2 84 181.243 1

Activity (Go SEA)

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