UCSF

ZINC41529535

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 15 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) 0.47 2.11 -17.65 1 5 0 64 231.321 6
Mid Mid (pH 6-8) 0.47 2.58 -40.4 2 5 1 65 232.329 6

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

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