UCSF

ZINC52441171

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.14 6.29 -45.96 2 6 1 57 365.473 6
Hi High (pH 8-9.5) 1.14 3.9 -15.18 1 6 0 56 364.465 6
Mid Mid (pH 6-8) 1.14 8.48 -100.52 3 6 2 58 366.481 6

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

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