UCSF

ZINC37047521

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -0.09 2.62 -99.32 0 8 -2 119 296.308 5
Mid Mid (pH 6-8) -0.09 2.48 -50.53 1 8 -1 117 297.316 5

Activity (Go SEA)

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