UCSF

ZINC37869378

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 1.49 2.72 -33.87 4 3 1 60 207.297 4
Mid Mid (pH 6-8) 1.49 1.58 -6 3 3 0 55 206.289 4

Activity (Go SEA)

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