UCSF

ZINC65171071

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 31 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) 1.86 7.72 -18.57 1 8 0 99 435.509 7
Lo Low (pH 4.5-6) 1.86 8.18 -48.73 2 8 1 100 436.517 7

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

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