UCSF

ZINC39693977

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 39 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.13 9.78 -114.71 4 9 2 92 537.705 7
Mid Mid (pH 6-8) 2.13 7.43 -67.86 3 9 1 91 536.697 7

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