UCSF

ZINC13415016

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 5.19 11.56 -49.95 1 7 -1 100 476.559 6
Lo Low (pH 4.5-6) 5.19 12.01 -53.08 2 7 0 101 477.567 6

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

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