UCSF

ZINC37792931

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) -0.04 2.49 -57.16 3 6 -1 112 261.257 5
Lo Low (pH 4.5-6) -0.04 0.49 -16.72 4 6 0 109 262.265 5

Activity (Go SEA)

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