UCSF

ZINC45658228

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) 1.54 4.97 -41.71 2 4 1 44 226.344 7
Hi High (pH 8-9.5) 1.54 3.84 -6.75 1 4 0 39 225.336 7

Activity (Go SEA)

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