UCSF

ZINC09186762

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 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) 5.79 12.33 -57.5 0 7 -1 92 511.579 8
Mid Mid (pH 6-8) 6.24 12.3 -18.85 1 7 0 89 512.587 7

Activity (Go SEA)

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