UCSF

ZINC66696569

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2011 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

    None

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) 1.19 5.19 -43.97 2 5 1 60 243.327 6
Hi High (pH 8-9.5) 1.19 3.3 -13.11 1 5 0 59 242.319 6

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Rings

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