UCSF

ZINC37326217

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 28 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) -0.46 1.87 -18.61 1 9 0 97 391.472 9
Mid Mid (pH 6-8) -0.46 4.14 -51.62 2 9 1 98 392.48 9

Activity (Go SEA)

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