UCSF

ZINC34590097

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 27 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) 1.25 10.81 -72.48 0 7 -1 86 388.831 2
Lo Low (pH 4.5-6) -1.50 7.94 -37.52 1 7 0 89 389.839 1

Activity (Go SEA)

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