UCSF

ZINC19669360

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 15 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) -0.92 2.48 -57.85 3 4 1 61 206.269 3
Lo Low (pH 4.5-6) -0.92 2.92 -105.07 4 4 2 62 207.277 3

Activity (Go SEA)

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