UCSF

ZINC22911159

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 15 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) 1.64 4.43 -81.33 3 3 2 24 215.385 3
Hi High (pH 8-9.5) 1.64 1.95 -30.94 2 3 1 23 214.377 3
Hi High (pH 8-9.5) 1.64 3.15 -30.85 2 3 1 20 214.377 3

Activity (Go SEA)

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