UCSF

ZINC09271205

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 35 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) 4.89 10.3 -54.47 0 7 -1 92 489.504 6
Mid Mid (pH 6-8) 5.33 9.88 -13.15 1 7 0 89 490.512 5

Activity (Go SEA)

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