UCSF

ZINC36169113

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 18 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) 3.06 7.96 -126.09 4 2 2 32 268.832 4
Hi High (pH 8-9.5) 3.06 8.24 -32.29 3 2 1 30 267.824 4
Hi High (pH 8-9.5) 3.06 5.85 -47.74 3 2 1 31 267.824 4

Activity (Go SEA)

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