UCSF

ZINC04508388

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2005 16 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) 2.26 5.79 -14.65 0 3 0 33 232.308 2
Lo Low (pH 4.5-6) 2.26 6.82 -29.99 1 3 1 34 233.316 2

Activity (Go SEA)

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