UCSF

ZINC25393938

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 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) 1.88 4.87 -9.47 1 5 0 55 308.422 5
Mid Mid (pH 6-8) 1.88 6.85 -44.9 2 5 1 56 309.43 5

Activity (Go SEA)

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