UCSF

ZINC62962798

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 No

Download: MOL2 SDF SMILES Flexibase

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) -2.00 -4.26 -73.56 3 7 1 102 312.437 3
Hi High (pH 8-9.5) -2.00 -5.07 -19.43 2 7 0 101 311.429 3

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

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