UCSF

ZINC39292652

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 31 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) 3.11 12.35 -67.05 1 6 0 68 431.414 3
Mid Mid (pH 6-8) 3.11 9.94 -44.65 0 6 -1 67 430.406 3

Activity (Go SEA)

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