UCSF

ZINC40447847

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 12 Yes

Other Names:

MFCD11840264

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) 0.35 0.55 -40.59 2 3 1 29 171.264 2
Mid Mid (pH 6-8) 0.35 -0.75 -2.53 1 3 0 24 170.256 2
Mid Mid (pH 6-8) 0.35 2.97 -107.56 3 3 2 30 172.272 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.