UCSF

ZINC23508829

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2009 17 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) 1.19 6.97 -103.99 3 4 2 47 242.363 4
Hi High (pH 8-9.5) 1.19 4.92 -42.74 2 4 1 46 241.355 4

Activity (Go SEA)

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