UCSF

ZINC37802567

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -1.96 0.64 -16.72 2 6 0 84 297.38 3
Mid Mid (pH 6-8) -1.96 0.99 -56.12 3 6 1 85 298.388 3

Activity (Go SEA)

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