UCSF

ZINC37043534

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 2.91 4.36 -52.54 4 4 1 66 295.378 4
Mid Mid (pH 6-8) 2.91 4.1 -7.12 3 4 0 64 294.37 4

Activity (Go SEA)

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