UCSF

ZINC40894259

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 24 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) 4.40 12.14 -10.8 0 3 0 43 316.356 2
Hi High (pH 8-9.5) 5.43 10.99 -50.32 0 3 -1 49 315.348 1

Activity (Go SEA)

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