UCSF

ZINC30919171

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 25 Yes

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) 3.87 6.41 -52.52 1 4 -1 65 353.364 4
Lo Low (pH 4.5-6) 3.41 6.96 -8 2 4 0 62 354.372 4

Activity (Go SEA)

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