UCSF

ZINC09675781

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2007 32 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) 1.77 5.98 -44.73 0 11 -1 145 460.444 7
Mid Mid (pH 6-8) 1.77 5.87 -19.36 1 11 0 143 461.452 7

Activity (Go SEA)

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