UCSF

ZINC37074048

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 2.68 4.24 -45.15 3 4 1 63 279.143 5
Hi High (pH 8-9.5) 2.68 3.7 -37.81 1 4 -1 61 277.127 5
Hi High (pH 8-9.5) 2.68 5 -31.99 2 4 0 66 278.135 5
Mid Mid (pH 6-8) 2.68 2.95 -7.59 2 4 0 59 278.135 5

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Rings

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