UCSF

ZINC09379771

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 37 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) 3.87 8.97 -63.62 0 9 -1 107 512.579 13
Mid Mid (pH 6-8) 4.31 7.81 -31.88 1 9 0 104 513.587 12

Activity (Go SEA)

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