UCSF

ZINC37822786

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 1.05 3.7 -7.82 2 4 0 50 277.755 2
Lo Low (pH 4.5-6) 1.05 5.94 -43.69 3 4 1 51 278.763 2

Activity (Go SEA)

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