UCSF

ZINC09831787

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2007 33 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) 4.45 -1.55 -56.77 2 6 -1 102 458.55 11
Lo Low (pH 4.5-6) 4.45 -1.3 -59.62 3 6 0 103 459.558 11

Activity (Go SEA)

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