UCSF

ZINC36939439

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 18 Yes

Other Names:

MFCD05262940

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) 1.01 4.3 -8.82 4 5 0 84 244.298 2
Lo Low (pH 4.5-6) 1.01 4.45 -41.42 5 5 1 85 245.306 2

Activity (Go SEA)

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

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