UCSF

ZINC33726843

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 37 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) 4.90 11.23 -46.17 0 8 -1 105 514.583 9
Lo Low (pH 4.5-6) 4.90 10.1 -20.67 1 8 0 102 515.591 9

Activity (Go SEA)

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