UCSF

ZINC37825913

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 0.75 3.38 -9.79 2 6 0 76 311.769 4
Lo Low (pH 4.5-6) 0.75 5.51 -46.25 3 6 1 77 312.777 4

Activity (Go SEA)

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