UCSF

ZINC40891683

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 23 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) 5.06 9.13 -77.33 5 3 2 54 335.923 11
Hi High (pH 8-9.5) 5.06 8.71 -46.5 4 3 1 53 334.915 11

Activity (Go SEA)

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