UCSF

ZINC39915072

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 20 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) 2.32 7.22 -20.05 1 6 0 81 309.372 5
Hi High (pH 8-9.5) 1.84 5.55 -56.44 0 6 -1 88 308.364 5

Activity (Go SEA)

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