UCSF

ZINC53654299

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 18 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) 0.88 9.91 -167.09 4 4 3 40 253.414 7
Hi High (pH 8-9.5) 0.88 7.18 -43.92 2 4 1 38 251.398 7
Mid Mid (pH 6-8) 0.88 7.69 -78.01 3 4 2 39 252.406 7
Mid Mid (pH 6-8) 0.88 9.4 -110.84 3 4 2 39 252.406 7

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

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