UCSF

ZINC39557338

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 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) 3.54 10.12 -48.03 0 4 -1 62 282.319 5
Lo Low (pH 4.5-6) 3.54 10.44 -63.12 1 4 0 63 283.327 5

Activity (Go SEA)

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