UCSF

ZINC02582257

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 23 No

Other Names:

MFCD00955511

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) 4.99 5.56 -7.33 1 4 0 54 385.139 3
Ref Reference (pH 7) 4.99 5.25 -8.31 1 4 0 54 385.139 3
Hi High (pH 8-9.5) 5.45 3.8 -37.8 0 4 -1 58 384.131 3
Hi High (pH 8-9.5) 5.45 3.27 -40.04 0 4 -1 58 384.131 3

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