UCSF

ZINC37120768

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 4.54 9.5 -52.96 1 3 -1 52 268.336 5
Lo Low (pH 4.5-6) 4.54 7.53 -7.38 2 3 0 49 269.344 5

Activity (Go SEA)

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