UCSF

ZINC40158135

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2010 19 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 6.24 -8.1 2 4 0 54 261.369 8
Lo Low (pH 4.5-6) 2.91 6.69 -33.65 3 4 1 55 262.377 8

Activity (Go SEA)

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