UCSF

ZINC54931338

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 18 No

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) 1.64 3.89 -29.43 4 5 0 84 242.282 1
Hi High (pH 8-9.5) 1.64 3.75 -40.87 3 5 -1 86 241.274 1
Mid Mid (pH 6-8) 1.64 3.55 -33.15 4 5 0 87 242.282 1

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

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