UCSF

ZINC54798579

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 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) 0.14 5.09 -41.4 3 6 1 72 243.294 4
Hi High (pH 8-9.5) 0.14 4.68 -16.44 2 6 0 71 242.286 4
Mid Mid (pH 6-8) 0.14 6.49 -118.76 4 6 2 77 244.302 4
Mid Mid (pH 6-8) 0.14 6.01 -60.47 3 6 1 75 243.294 4

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

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