UCSF

ZINC62548376

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 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) 1.80 2.82 -16.04 1 8 0 110 374.374 3
Hi High (pH 8-9.5) 2.26 0.2 -48.13 0 8 -1 113 373.366 3

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

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