UCSF

ZINC37792437

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) 0.85 2.54 -57.75 2 5 -1 89 244.311 6
Lo Low (pH 4.5-6) 0.85 0.7 -12.44 3 5 0 87 245.319 6

Activity (Go SEA)

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