UCSF

ZINC04123715

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 21 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) -0.97 -2.94 -49.08 3 7 1 87 290.347 4
Lo Low (pH 4.5-6) -0.97 -2.83 -87.44 4 7 2 89 291.355 4

Activity (Go SEA)

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