UCSF

ZINC22780283

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 26 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) 2.37 3.79 -53.59 1 11 -1 141 421.246 5
Mid Mid (pH 6-8) 1.99 3.34 -53.08 1 11 -1 146 421.246 6
Mid Mid (pH 6-8) 1.99 3.38 -127.48 0 11 -2 148 420.238 6

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

No pre-computed analogs available. Try a structural similarity search.