UCSF

ZINC39978740

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 22 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) 3.32 9.6 -48.4 2 4 1 50 314.434 5
Hi High (pH 8-9.5) 3.78 7.05 -44.84 1 4 0 53 313.426 5

Activity (Go SEA)

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