UCSF

ZINC66391559

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2011 21 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) 3.95 6.41 -7.49 2 3 0 41 314.832 6
Lo Low (pH 4.5-6) 3.95 7.31 -44.95 3 3 1 46 315.84 6

Activity (Go SEA)

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