UCSF

ZINC16159566

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2008 17 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) 4.34 6.05 -33.24 0 2 -1 36 260.622 1
Lo Low (pH 4.5-6) 4.34 4.67 -28.14 2 2 1 34 262.638 1
Lo Low (pH 4.5-6) 3.88 6.41 -12.89 1 2 0 33 261.63 1

Activity (Go SEA)

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