UCSF

ZINC23019030

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 24 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) 2.57 4.24 -25.32 2 6 0 85 348.424 8
Hi High (pH 8-9.5) 2.57 4.31 -54.02 1 6 -1 87 347.416 8

Activity (Go SEA)

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