UCSF

ZINC70318641

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2011 19 Yes

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) 2.13 5.37 -31.39 4 3 1 60 255.341 1
Mid Mid (pH 6-8) 2.13 4.9 -4.94 3 3 0 59 254.333 1

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

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