UCSF

ZINC37825606

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.62 5.72 -10.2 2 5 0 73 276.336 7
Mid Mid (pH 6-8) -0.62 6.07 -43.05 3 5 1 74 277.344 7

Activity (Go SEA)

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