UCSF

ZINC57498477

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.98 5.88 -15.78 0 6 0 55 367.449 5
Lo Low (pH 4.5-6) 1.98 8.09 -46.56 1 6 1 56 368.457 5

Activity (Go SEA)

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