UCSF

ZINC66190501

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 26 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) 5.21 11.03 -41.49 3 3 1 38 367.9 9
Hi High (pH 8-9.5) 5.21 9.65 -5.89 2 3 0 33 366.892 9

Activity (Go SEA)

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