UCSF

ZINC21810917

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 5.14 9.4 -2.49 1 2 0 25 335.289 3
Lo Low (pH 4.5-6) 5.14 9.84 -33.6 2 2 1 26 336.297 3

Activity (Go SEA)

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