UCSF

ZINC21787288

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 1.77 4.36 -44.43 4 5 1 63 311.837 5
Hi High (pH 8-9.5) 1.77 2.05 -12.23 3 5 0 62 310.829 5
Mid Mid (pH 6-8) 1.77 4.37 -49.27 4 5 1 63 311.837 5

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