UCSF

ZINC42471214

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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
Ref Reference (pH 7) 2.38 8.61 -111.03 3 2 2 21 252.427 5
Mid Mid (pH 6-8) 2.38 6.74 -31.03 2 2 1 20 251.419 5
Mid Mid (pH 6-8) 2.38 8.06 -32.21 2 2 1 16 251.419 5

Activity (Go SEA)

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