UCSF

ZINC34537683

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 31 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) 7.19 16.62 -56.25 1 3 -1 56 408.521 5
Lo Low (pH 4.5-6) 7.19 14.5 -9.58 2 3 0 53 409.529 5

Activity (Go SEA)

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