UCSF

ZINC42808931

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 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) 1.27 1.62 -47.3 3 5 1 72 273.378 7
Mid Mid (pH 6-8) 1.27 1.77 -58.09 2 5 0 74 272.37 7

Activity (Go SEA)

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