UCSF

ZINC20472837

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 25 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) 3.40 8.05 -26.55 2 6 1 59 338.435 5
Hi High (pH 8-9.5) 3.40 7.77 -10.05 1 6 0 57 337.427 5
Mid Mid (pH 6-8) 3.40 10.36 -88.56 3 6 2 60 339.443 5

Activity (Go SEA)

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