UCSF

ZINC34957160

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 1.13 3.91 -55.09 3 4 1 59 245.302 5
Lo Low (pH 4.5-6) 1.13 4.38 -94.31 4 4 2 60 246.31 5

Activity (Go SEA)

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