UCSF

ZINC29409715

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 22 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) 2.66 6.55 -44.84 3 3 1 40 297.422 5
Mid Mid (pH 6-8) 2.66 8.83 -112.31 4 3 2 41 298.43 5

Activity (Go SEA)

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