UCSF

ZINC98519576

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2015 37 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 8.15 15.28 -7.5 1 4 0 55 506.775 3
Mid Mid (pH 6-8) 8.15 15.26 -7.93 1 4 0 55 506.775 3
Lo Low (pH 4.5-6) 8.15 15.4 -33.56 2 4 1 56 507.783 3

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

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