UCSF

ZINC00006963

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 16 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) 1.88 -1.97 -8.14 3 4 0 67 210.24 1
Lo Low (pH 4.5-6) 1.88 -1.81 -31.59 4 4 1 68 211.248 1
Lo Low (pH 4.5-6) 1.88 -1.82 -30.56 4 4 1 68 211.248 1

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

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