UCSF

ZINC24886158

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 22 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) 0.26 9.02 -101.51 2 5 2 42 306.454 6
Hi High (pH 8-9.5) 0.26 6.49 -42.35 1 5 1 41 305.446 6

Activity (Go SEA)

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