UCSF

ZINC07913329

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2006 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) 4.37 8.99 -48.2 3 5 1 63 381.283 6
Hi High (pH 8-9.5) 4.19 5.84 -46.42 1 5 -1 68 379.267 6
Hi High (pH 8-9.5) 4.19 8.15 -36.32 2 5 0 69 380.275 6

Activity (Go SEA)

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