UCSF

ZINC64033190

Substance Information

In ZINC since Heavy atoms Benign functionality
June 10th, 2011 9 No

Other Names:

MFCD07698574

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) -0.11 -0.24 -10.31 1 3 0 37 123.159 0
Lo Low (pH 4.5-6) -0.11 1.13 -51.59 2 3 1 41 124.167 0

Activity (Go SEA)

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

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