UCSF

ZINC33399615

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2009 24 No

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) 4.52 8.8 -9.24 0 4 0 38 321.424 5
Mid Mid (pH 6-8) 4.52 10.82 -38.67 1 4 1 39 322.432 5

Activity (Go SEA)

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