UCSF

ZINC95938696

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2014 26 No

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) 4.03 4.9 -12.79 3 6 0 83 349.39 6
Hi High (pH 8-9.5) 4.03 5.67 -43.92 2 6 -1 86 348.382 6

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

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