UCSF

ZINC36734797

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 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) 1.88 2.49 -8.4 3 5 0 70 321.178 2
Lo Low (pH 4.5-6) 1.88 2.64 -29.44 4 5 1 71 322.186 2

Activity (Go SEA)

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