UCSF

ZINC34534959

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 15 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) 0.92 3.78 -43.87 3 2 1 31 203.309 2
Lo Low (pH 4.5-6) 0.92 6.27 -113.46 4 2 2 32 204.317 2
Lo Low (pH 4.5-6) 0.92 5.97 -32.48 3 2 1 30 203.309 2

Activity (Go SEA)

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