UCSF

ZINC19851083

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 26 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) 2.70 6.14 -23.43 4 7 0 114 385.474 4
Hi High (pH 8-9.5) 3.16 4.18 -55.17 3 7 -1 117 384.466 4

Activity (Go SEA)

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