UCSF

ZINC35838453

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 22 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) 3.03 7.06 -8.34 1 3 0 38 297.308 4
Lo Low (pH 4.5-6) 3.03 7.53 -41.56 2 3 1 39 298.316 4

Activity (Go SEA)

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