UCSF

ZINC37787241

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) 2.87 5.44 -13.79 2 5 0 59 278.4 6
Lo Low (pH 4.5-6) 2.87 5.39 -44.8 3 5 1 64 279.408 6

Activity (Go SEA)

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