UCSF

ZINC37385913

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 20 Yes

Other Names:

MFCD26143360

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) 4.71 6.92 -7.56 1 3 0 46 354.269 3
Mid Mid (pH 6-8) 4.71 6.96 -44.55 0 3 -1 48 353.261 3

Activity (Go SEA)

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