UCSF

ZINC34552478

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 4.09 9.05 -46.26 0 2 -1 40 239.722 4
Lo Low (pH 4.5-6) 4.09 7.17 -6.6 1 2 0 37 240.73 4

Activity (Go SEA)

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