UCSF

ZINC41587237

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 6.03 10.84 -12.18 0 6 0 61 469.537 4
Lo Low (pH 4.5-6) 6.03 13.72 -57.8 1 6 1 62 470.545 4

Activity (Go SEA)

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