UCSF

ZINC40109426

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 33 No

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) 2.25 6.87 -61.68 1 7 -1 103 447.442 8
Lo Low (pH 4.5-6) 2.25 6.12 -17.96 2 7 0 100 448.45 8

Activity (Go SEA)

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