UCSF

ZINC37232786

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 3.03 5.36 -46.94 2 4 1 42 270.356 3
Mid Mid (pH 6-8) 3.03 3.08 -9.41 1 4 0 41 269.348 3

Activity (Go SEA)

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