UCSF

ZINC42409335

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 18 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) 1.69 6.5 -102.53 3 3 2 24 249.402 6
Mid Mid (pH 6-8) 1.69 6.48 -87.4 3 3 2 24 249.402 6
Mid Mid (pH 6-8) 1.69 4.22 -38.8 2 3 1 23 248.394 6

Activity (Go SEA)

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