UCSF

ZINC39948770

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 38 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) 1.55 8.23 -39.43 4 15 1 186 528.55 10
Hi High (pH 8-9.5) 1.55 5.99 -17.16 3 15 0 185 527.542 10

Activity (Go SEA)

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