UCSF

ZINC20503670

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 27 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) 4.12 10.54 -57.54 2 5 1 58 385.871 3
Hi High (pH 8-9.5) 4.12 8.62 -33.64 0 5 -1 60 383.855 3
Mid Mid (pH 6-8) 4.12 8.31 -12.42 1 5 0 57 384.863 3

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

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