UCSF

ZINC98090262

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2014 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) 4.38 9.23 -40.21 1 6 -1 80 372.441 9
Lo Low (pH 4.5-6) 4.38 9.53 -22.74 2 6 0 84 373.449 9

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

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