UCSF

ZINC37803431

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 0.47 5.98 -43.46 2 4 1 50 248.35 7
Lo Low (pH 4.5-6) 0.47 6.44 -84.18 3 4 2 51 249.358 7

Activity (Go SEA)

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