UCSF

ZINC39123633

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 29 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) 4.74 12.12 -11.98 0 4 0 39 385.463 4
Mid Mid (pH 6-8) 4.74 14.37 -46.55 1 4 1 40 386.471 4

Activity (Go SEA)

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