UCSF

ZINC13569673

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 26 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) 2.32 7.91 -46.99 2 5 1 56 357.474 9
Lo Low (pH 4.5-6) 2.32 8.18 -103.1 3 5 2 57 358.482 9

Activity (Go SEA)

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