UCSF

ZINC39279009

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 11 Yes

Other Names:

MFCD06658326

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) -2.83 0.81 -47.88 4 4 0 83 158.201 2
Mid Mid (pH 6-8) -2.83 1.02 -90.69 5 4 1 84 159.209 2

Activity (Go SEA)

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