UCSF

ZINC38735682

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 30 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) 2.88 10.52 -31.3 1 6 0 67 422.485 4
Lo Low (pH 4.5-6) 2.88 10.96 -44.55 2 6 1 68 423.493 4

Activity (Go SEA)

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