UCSF

ZINC40132972

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 25 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) 2.91 10.21 -12.96 1 5 0 69 334.423 4
Lo Low (pH 4.5-6) 2.91 10.67 -42.58 2 5 1 70 335.431 4

Activity (Go SEA)

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