UCSF

ZINC37140467

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 17 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) 1.16 1.59 -40.03 4 4 1 63 240.371 4
Mid Mid (pH 6-8) 1.16 3.77 -105.85 5 4 2 64 241.379 4

Activity (Go SEA)

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