UCSF

ZINC62030686

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 19 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) 0.48 6.28 -35.56 3 3 1 40 263.405 5
Hi High (pH 8-9.5) 0.48 4.52 -3.29 2 3 0 38 262.397 5
Mid Mid (pH 6-8) 0.48 6.51 -127.24 4 3 2 41 264.413 5
Mid Mid (pH 6-8) 0.48 4.66 -39.78 3 3 1 40 263.405 5

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

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