UCSF

ZINC64549319

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 30 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) 4.35 12.97 -53.27 1 5 1 53 401.486 7
Hi High (pH 8-9.5) 4.35 10.5 -15.41 0 5 0 52 400.478 7

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

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