UCSF

ZINC37085561

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 3.16 4.59 -44.09 3 4 1 63 293.17 5
Hi High (pH 8-9.5) 3.16 4.1 -35.47 1 4 -1 61 291.154 5
Mid Mid (pH 6-8) 3.16 3.36 -7.43 2 4 0 59 292.162 5
Mid Mid (pH 6-8) 3.16 5.34 -28.53 2 4 0 66 292.162 5

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Rings

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