UCSF

ZINC35017703

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 31 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) 0.35 4.24 -80.12 2 10 0 125 433.44 5
Hi High (pH 8-9.5) 0.35 2.01 -58.86 1 10 -1 123 432.432 5
Mid Mid (pH 6-8) 0.35 3.62 -59.58 3 10 1 122 434.448 5
Lo Low (pH 4.5-6) 0.35 5.34 -99.21 4 10 2 123 435.456 5

Activity (Go SEA)

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