UCSF

ZINC24971383

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 20 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) 1.35 4.67 -44.58 2 5 1 49 276.408 2
Lo Low (pH 4.5-6) 1.35 5.05 -78.3 3 5 2 50 277.416 2

Activity (Go SEA)

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