UCSF

ZINC37150070

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) 2.38 3.56 -40.4 4 4 1 57 279.404 6
Lo Low (pH 4.5-6) 2.39 4.75 -117.13 5 4 2 61 280.412 6

Activity (Go SEA)

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