UCSF

ZINC42420960

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 20 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) 0.11 -0.22 -44.88 3 5 1 53 286.44 9
Hi High (pH 8-9.5) 0.11 2.12 -35.94 3 5 1 52 286.44 9
Mid Mid (pH 6-8) 0.11 4.16 -94.42 4 5 2 53 287.448 9
Mid Mid (pH 6-8) 0.11 1.9 -106.6 4 5 2 54 287.448 9

Activity (Go SEA)

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