UCSF

ZINC69835972

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 23 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) 4.47 9.99 -16.32 0 4 0 51 309.344 5
Lo Low (pH 4.5-6) 4.47 10.52 -35.96 1 4 1 52 310.352 5

Activity (Go SEA)

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