UCSF

ZINC08821101

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 32 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) 6.94 13.58 -24.2 1 7 0 104 441.468 4
Mid Mid (pH 6-8) 6.45 13.43 -67.82 0 7 -1 103 440.46 5

Activity (Go SEA)

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