UCSF

ZINC29225738

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 29 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) 2.76 8.09 -39.43 3 8 1 95 400.503 4
Hi High (pH 8-9.5) 2.76 7.71 -18.56 2 8 0 94 399.495 4

Activity (Go SEA)

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