UCSF

ZINC42944960

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 19 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) 1.95 4.66 -124.1 5 4 2 61 285.819 6
Mid Mid (pH 6-8) 1.95 2.67 -58.76 4 4 1 60 284.811 6
Mid Mid (pH 6-8) 1.95 4.33 -37.05 4 4 1 60 284.811 6

Activity (Go SEA)

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