UCSF

ZINC69236414

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 20 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) 4.53 7.97 -27.04 3 3 1 42 278.464 3
Hi High (pH 8-9.5) 4.53 7.18 -4.61 2 3 0 41 277.456 3
Mid Mid (pH 6-8) 4.53 8.37 -36.86 3 3 1 45 278.464 3

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

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