UCSF

ZINC36768921

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 0.68 -0.09 -9.74 4 5 0 82 263.341 4
Lo Low (pH 4.5-6) 0.68 2.26 -47 5 5 1 83 264.349 4

Activity (Go SEA)

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