UCSF

ZINC13001650

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 31 Yes

Other Names:

MFCD02327687

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) 6.53 11.52 -12.81 2 4 0 69 404.469 4
Lo Low (pH 4.5-6) 6.53 12.19 -33.78 3 4 1 70 405.477 4

Activity (Go SEA)

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