UCSF

ZINC39916943

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 4.83 13.72 -35.75 1 4 1 31 376.524 8
Mid Mid (pH 6-8) 4.83 11.26 -8.57 0 4 0 30 375.516 8

Activity (Go SEA)

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