UCSF

ZINC42740266

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 14 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) 1.24 3.09 -45.59 3 2 1 31 211.354 3
Mid Mid (pH 6-8) 1.24 4.76 -33.83 3 2 1 30 211.354 3
Mid Mid (pH 6-8) 1.24 5.14 -109.49 4 2 2 32 212.362 3

Activity (Go SEA)

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