UCSF

ZINC01280434

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 28 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) 3.25 7.9 -48.5 2 6 1 62 386.468 6
Mid Mid (pH 6-8) 3.25 5.82 -9.62 1 6 0 60 385.46 6

Activity (Go SEA)

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