UCSF

ZINC01638620

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 22 Yes

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) 2.65 7.78 -11.88 1 4 0 47 289.338 1
Lo Low (pH 4.5-6) 3.08 7.91 -107.39 3 4 2 51 291.354 1

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

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