UCSF

ZINC04535677

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 30 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) -1.86 9.58 -31.25 3 8 1 106 401.45 5
Lo Low (pH 4.5-6) -1.86 10.02 -88.43 4 8 2 108 402.458 5

Activity (Go SEA)

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