UCSF

ZINC06813234

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 29 No

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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) 2.53 7.54 -65.27 1 6 -1 90 394.447 8
Mid Mid (pH 6-8) 2.98 5.59 -32.13 2 6 0 87 395.455 7
Mid Mid (pH 6-8) 1.95 6.6 -23.83 1 6 0 84 395.455 8

Activity (Go SEA)

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