UCSF

ZINC34552485

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 21 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) 4.82 11.17 -43.97 0 2 -1 40 281.375 5
Lo Low (pH 4.5-6) 4.82 9.31 -4.84 1 2 0 37 282.383 5

Activity (Go SEA)

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