UCSF

ZINC01473052

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.68 11.41 -9.1 0 2 0 18 264.372 4
Mid Mid (pH 6-8) 4.68 11.82 -28.4 1 2 1 19 265.38 4

Activity (Go SEA)

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