UCSF

ZINC20485678

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 15 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) 2.85 6.75 -97.05 5 3 2 56 215.385 10
Mid Mid (pH 6-8) -0.32 6.69 -32.68 5 3 1 56 214.377 10

Activity (Go SEA)

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