UCSF

ZINC39916849

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 25 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) 4.92 13.57 -41.38 1 3 1 22 334.487 5
Mid Mid (pH 6-8) 4.92 11.14 -8.15 0 3 0 21 333.479 5

Activity (Go SEA)

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