UCSF

ZINC95864687

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2014 22 No

CAS Numbers: 66104-22-1 , 66104-23-2

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) 3.84 10.48 -95.02 2 2 2 18 316.514 4
Hi High (pH 8-9.5) 3.84 8.29 -29.98 1 2 1 17 315.506 4

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

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