UCSF

ZINC37800866

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) 0.11 0.91 -40.16 3 5 1 60 296.416 3
Lo Low (pH 4.5-6) 0.11 3.12 -98.13 4 5 2 62 297.424 3

Activity (Go SEA)

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