UCSF

ZINC43438317

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 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) 2.05 6.02 -49 2 7 -1 108 301.363 11
Lo Low (pH 4.5-6) 2.05 4.35 -15.41 3 7 0 105 302.371 11

Activity (Go SEA)

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