UCSF

ZINC35260362

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 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) 2.49 5.14 -31.92 3 3 1 48 233.335 3
Hi High (pH 8-9.5) 2.49 3.49 -8.36 2 3 0 46 232.327 3

Activity (Go SEA)

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