UCSF

ZINC05586601

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 24 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) 1.26 5.49 -8.71 0 6 0 63 327.315 2
Lo Low (pH 4.5-6) 1.26 5.94 -41.63 1 6 1 64 328.323 2

Activity (Go SEA)

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