UCSF

ZINC36779620

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) 3.34 7.51 -38.88 2 2 1 20 265.396 6
Lo Low (pH 4.5-6) 3.34 9.75 -111.44 3 2 2 21 266.404 6

Activity (Go SEA)

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