UCSF

ZINC34961267

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 1.01 5.25 -34.25 2 4 1 43 229.344 6
Lo Low (pH 4.5-6) 1.01 6.43 -106.11 3 4 2 47 230.352 6
Lo Low (pH 4.5-6) 1.01 4.22 -43.76 2 4 1 46 229.344 6

Activity (Go SEA)

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