UCSF

ZINC37028354

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) -0.46 1.89 -48.74 5 4 1 77 257.313 4
Mid Mid (pH 6-8) -0.46 1.56 -12.4 4 4 0 75 256.305 4

Activity (Go SEA)

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