UCSF

ZINC65530306

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 25 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) 1.47 3.6 -39.66 3 7 1 75 342.423 5
Hi High (pH 8-9.5) 1.47 3.19 -14.1 2 7 0 73 341.415 5
Mid Mid (pH 6-8) 1.47 5.96 -114.57 4 7 2 76 343.431 5

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

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