UCSF

ZINC09421777

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 18 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) 0.40 -5.66 -20.95 1 6 0 79 289.382 4
Hi High (pH 8-9.5) 0.40 -5.1 -52.42 0 6 -1 81 288.374 4
Mid Mid (pH 6-8) 1.32 2 -21.71 1 6 0 83 289.382 3

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

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