UCSF

ZINC62964998

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 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) 2.73 7.44 -36.21 2 3 1 20 288.459 4
Hi High (pH 8-9.5) 2.73 5.05 -2.32 1 3 0 19 287.451 4
Hi High (pH 8-9.5) 2.73 6.87 -35.68 2 3 1 20 288.459 4
Hi High (pH 8-9.5) 2.73 5.87 -31.2 2 3 1 23 288.459 4
Mid Mid (pH 6-8) 2.73 8.27 -95.56 3 3 2 24 289.467 4

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

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