UCSF

ZINC21790039

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 24 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) 2.11 3 -10.62 1 6 0 81 340.408 6
Lo Low (pH 4.5-6) 2.11 3.45 -47.19 2 6 1 82 341.416 6

Activity (Go SEA)

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