UCSF

ZINC09046111

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 26 No

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) 2.68 6.78 -57.56 0 6 -1 83 419.251 7
Lo Low (pH 4.5-6) 2.68 6.03 -12.96 1 6 0 80 420.259 7

Activity (Go SEA)

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