UCSF

ZINC12478436

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 13 No

Other Names:

MFCD07776928

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) 1.37 1.79 -6.03 1 4 0 66 176.175 2
Mid Mid (pH 6-8) 1.37 2.81 -38.31 0 4 -1 68 175.167 2
Mid Mid (pH 6-8) 1.37 2.78 -43.97 0 4 -1 68 175.167 2

Activity (Go SEA)

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

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