UCSF

ZINC37248575

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 16 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) 2.73 6.92 -35.91 2 2 1 16 284.221 3
Mid Mid (pH 6-8) 2.73 5.73 -43.75 2 2 1 20 284.221 3

Activity (Go SEA)

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