UCSF

ZINC34370682

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 23 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) 4.13 9.44 -35.15 3 2 1 37 310.461 3
Hi High (pH 8-9.5) 4.13 8.13 -4.03 2 2 0 32 309.453 3

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

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