UCSF

ZINC19790495

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 24 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) 3.37 7.68 -61.31 0 4 -1 56 317.368 3
Mid Mid (pH 6-8) 3.37 8.05 -62.5 1 4 0 58 318.376 3

Activity (Go SEA)

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