UCSF

ZINC62671270

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 4.12 9.6 -29.59 2 2 1 16 281.423 3
Hi High (pH 8-9.5) 4.12 9.53 -2.49 1 2 0 15 280.415 3
Mid Mid (pH 6-8) 4.12 10.72 -37.31 2 2 1 20 281.423 3

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

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