UCSF

ZINC40139753

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 22 No

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) 3.58 7.72 -15.14 0 4 0 42 316.426 4
Lo Low (pH 4.5-6) 3.58 8.68 -25.78 1 4 1 44 317.434 4

Activity (Go SEA)

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