UCSF

ZINC20056648

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 2.92 6.94 -42.77 2 2 1 30 240.685 4
Hi High (pH 8-9.5) 2.92 5.53 -4.95 1 2 0 25 239.677 4

Activity (Go SEA)

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