UCSF

ZINC34950045

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 32 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) 4.19 8.81 -12.28 1 6 0 54 451.489 9
Mid Mid (pH 6-8) 4.19 11.07 -58.17 2 6 1 55 452.497 9

Activity (Go SEA)

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