UCSF

ZINC72190221

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2012 39 No

Other Names:

BMS-599626

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) 4.03 10.78 -55.76 4 11 1 124 531.572 8
Mid Mid (pH 6-8) 4.03 9.43 -18.29 3 11 0 120 530.564 8

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

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