UCSF

ZINC42743514

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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
Hi High (pH 8-9.5) 0.56 1.16 -41.18 3 4 1 43 256.414 6
Hi High (pH 8-9.5) 0.56 2.81 -34.33 3 4 1 43 256.414 6
Mid Mid (pH 6-8) 0.56 3.98 -90.51 4 4 2 44 257.422 6
Mid Mid (pH 6-8) 0.56 3.58 -103.07 4 4 2 45 257.422 6

Activity (Go SEA)

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