UCSF

ZINC37039521

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) 1.43 6.58 -105.02 4 4 2 48 304.36 5
Mid Mid (pH 6-8) 1.43 4.63 -45.6 3 4 1 47 303.352 5

Activity (Go SEA)

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