UCSF

ZINC37825439

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) -0.79 -2.61 -45.4 5 5 1 88 219.305 8
Mid Mid (pH 6-8) -0.79 -2.94 -9.37 4 5 0 87 218.297 8

Activity (Go SEA)

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