UCSF

ZINC06326027

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2006 24 No

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) 4.05 6.55 -19.51 2 6 0 84 388.221 3
Hi High (pH 8-9.5) 4.05 7.72 -61.66 1 6 -1 87 387.213 3
Hi High (pH 8-9.5) 4.05 7.56 -65.61 1 6 -1 87 387.213 3

Activity (Go SEA)

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