UCSF

ZINC72190635

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2012 13 Yes

Other Names:

MFCD12401627

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) 1.26 3.02 -51.36 2 2 1 29 189.16 1
Mid Mid (pH 6-8) 1.26 1.53 -6.56 1 2 0 25 188.152 1

Activity (Go SEA)

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

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