UCSF

ZINC16440746

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 25 No

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) 5.17 8.69 -6.26 1 3 0 45 370.302 2
Hi High (pH 8-9.5) 5.63 6.9 -39.81 0 3 -1 48 369.294 2

Activity (Go SEA)

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