UCSF

ZINC19838299

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 27 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) 4.30 12.06 -35.64 2 5 1 45 374.597 5
Mid Mid (pH 6-8) 4.30 10.98 -42.37 2 5 1 49 374.597 5

Activity (Go SEA)

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