UCSF

ZINC39018609

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2010 15 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) 3.52 5.78 -8.14 1 3 0 46 205.257 4
Hi High (pH 8-9.5) 3.98 3.15 -47.68 0 3 -1 49 204.249 4

Activity (Go SEA)

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