UCSF

ZINC00337087

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 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) 0.37 0.89 -8.58 2 4 0 65 152.182 0
Lo Low (pH 4.5-6) 0.37 1.17 -30.56 3 4 1 66 153.19 0
Lo Low (pH 4.5-6) 0.37 -3.14 -31.91 3 4 1 66 153.19 0

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

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