UCSF

ZINC29124881

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 33 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) 4.85 7.9 -46.46 3 7 1 84 468.599 7
Hi High (pH 8-9.5) 4.85 6.72 -10.43 2 7 0 80 467.591 7
Hi High (pH 8-9.5) 4.85 9.63 -68.29 2 7 0 87 467.591 7

Activity (Go SEA)

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