UCSF

ZINC34359106

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 36 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) 4.67 13.06 -101.91 2 8 -2 123 490.556 12
Lo Low (pH 4.5-6) 4.67 13.62 -101.44 3 8 -1 127 491.564 12

Activity (Go SEA)

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