UCSF

ZINC61818437

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 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) 2.43 5.3 -44.53 3 2 1 31 251.369 3
Mid Mid (pH 6-8) 2.43 6.83 -36.45 3 2 1 30 251.369 3
Mid Mid (pH 6-8) 2.43 7.17 -124.53 4 2 2 32 252.377 3

Activity (Go SEA)

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