UCSF

ZINC39679331

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 23 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) 1.53 5.83 -61.46 2 6 -1 98 313.333 4
Lo Low (pH 4.5-6) 1.53 4.1 -27.99 3 6 0 95 314.341 4

Activity (Go SEA)

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