UCSF

ZINC05834350

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 39 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) 6.92 18.59 -113.33 4 5 2 63 527.753 15
Hi High (pH 8-9.5) 6.92 17.22 -51.43 3 5 1 58 526.745 15

Activity (Go SEA)

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