UCSF

ZINC19487058

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 2.07 3.87 -44.01 3 3 1 40 255.426 3
Lo Low (pH 4.5-6) 2.07 5.45 -118.68 4 3 2 41 256.434 3

Activity (Go SEA)

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