UCSF

ZINC20125973

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.27 6.91 -39.63 2 3 1 29 265.421 8
Mid Mid (pH 6-8) 3.27 7.59 -34.13 2 3 1 26 265.421 8
Lo Low (pH 4.5-6) 3.27 8.88 -118.16 3 3 2 30 266.429 8

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Rings

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