UCSF

ZINC37143821

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 No

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) 1.02 0.24 -17.25 3 5 0 68 296.392 6
Mid Mid (pH 6-8) 1.02 2.54 -55.82 4 5 1 69 297.4 6

Activity (Go SEA)

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