UCSF

ZINC37822768

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 2.29 4.82 -39.63 2 4 1 40 276.404 2
Lo Low (pH 4.5-6) 2.29 7.08 -98.18 3 4 2 41 277.412 2

Activity (Go SEA)

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