UCSF

ZINC37825578

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) -0.54 4.55 -62 3 5 1 96 235.311 5
Mid Mid (pH 6-8) -0.54 4.32 -15.96 2 5 0 94 234.303 5

Activity (Go SEA)

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