UCSF

ZINC26160091

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 30 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) 2.27 9.4 -50.22 3 5 1 53 409.529 6
Mid Mid (pH 6-8) 2.27 6.93 -14.95 2 5 0 51 408.521 6
Lo Low (pH 4.5-6) 2.27 11.37 -130.66 4 5 2 54 410.537 6

Activity (Go SEA)

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