UCSF

ZINC62026643

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 27 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) -0.80 -3.05 -19.4 1 10 0 126 393.425 5
Hi High (pH 8-9.5) -0.34 -5.68 -54.47 0 10 -1 129 392.417 5
Mid Mid (pH 6-8) -0.80 -0.82 -64.93 2 10 1 127 394.433 5

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

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